3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]

C12H19N3 — CID 141442668

IUPAC3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]
SMILESCC1Cn2cccc2C2(CCNCC2)N1
InChIInChI=1S/C12H19N3/c1-10-9-15-8-2-3-11(15)12(14-10)4-6-13-7-5-12/h2-3,8,10,13-14H,4-7,9H2,1H3
InChIKeyXBFKFDAGIIHWMY-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.06
Rot. Bonds

About 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]

3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine] (PubChem CID 141442668) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine].

Molecular Properties

Compound Name3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]
PubChem CID141442668
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]
SMILESCC1Cn2cccc2C2(CCNCC2)N1
InChIInChI=1S/C12H19N3/c1-10-9-15-8-2-3-11(15)12(14-10)4-6-13-7-5-12/h2-3,8,10,13-14H,4-7,9H2,1H3
InChIKeyXBFKFDAGIIHWMY-UHFFFAOYSA-N
XLogP1.06
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine
CID 174246085
1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one
CID 92585524
8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 50742421
5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
CID 53213553
1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
CID 69047324
1-ethenyl-1-methyl-2,3-dihydropyrrolizine
CID 46177866
1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]
CID 14944967
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 79180872
2,2-dimethyl-3H-pyrrolizin-1-one
CID 89287918
ethane;4-methyl-4-phenylpiperidine
CID 91476557
CID 174065936
CID 174065936
6,8,10-trimethyl-2,8-diazaspiro[4.5]decane
CID 83906711

Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]?
The IUPAC name of 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine] (CID 141442668) is 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine].
What is the SMILES notation for 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]?
The canonical SMILES for 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine] is CC1Cn2cccc2C2(CCNCC2)N1.
What is the InChIKey of 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]?
The InChIKey is XBFKFDAGIIHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-9-15-8-2-3-11(15)12(14-10)4-6-13-7-5-12/h2-3,8,10,13-14H,4-7,9H2,1H3.
What are the key properties of 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]?
3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine] has a molecular weight of 205.30 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine] is sourced from PubChem (CID 141442668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).